Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.31 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8585562 | 0.83 | NAALAD2 (0.40) | ALDH1A1CYP1A2THRBKMT2AMEN1 | |
| SCHEMBL3380551 | 0.83 | ALDH1A1 (0.41) | ALDH1A1CYP1A2THRBKMT2AMEN1 | |
| SCHEMBL7111437 | 0.80 | NAALAD2 (0.44) | ALDH1A1CYP1A2THRBKMT2AMEN1 | |
| SCHEMBL3380370 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CYP1A2THRBKMT2AMEN1 | |
| SCHEMBL3382753 | 0.79 | NAALAD2 (0.42) | ALDH1A1CYP1A2THRBKMT2AMEN1 | |
| SCHEMBL3382732 | 0.77 | AKR1B1 (0.39) | ALDH1A1CYP1A2THRBKMT2AMEN1 | |
| SCHEMBL8457132 | 0.74 | KEAP1 (0.41) | ALDH1A1ESR1CYP3A4ESR2FDPS | |
| SCHEMBL3418003 | 0.71 | NAALAD2 (0.34) | ALDH1A1CYP1A2THRBKMT2AMEN1 | |
| SCHEMBL8458007 | 0.71 | ALDH1A1 (0.35) | ALDH1A1NAALAD2 | |
| SCHEMBL8459394 | 0.71 | FDPS (0.39) | ALDH1A1CYP1A2KMT2AMEN1ESR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5880112-A | PHOSPHINIC ACID DERIVATIVES; PROSTATE CANCER TREATMENT | GUILFORD PHARMACEUTICALS INC. (US) | 1999-03-09 | — | — | US | disclosed |
| US-5804602-A | N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1998-09-08 | — | — | US | disclosed |
| US-5672592-A | HYDROLASE INHIBITORS, ANTITUMOR AND ANTICARCINOGENIC AGENTS, FOR PROSTATE CANCER | GUILFORD PHARMACEUTICALS INC. (US) | 1997-09-30 | — | — | US | disclosed |